3,4-Didehydroglabridin
PubChem CID: 102119815
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| Compound Synonyms | 3,4-Didehydroglabridin, 214283-58-6, 4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol, 4-(8,8-dimethyl-2H-pyrano(2,3-f)chromen-3-yl)benzene-1,3-diol, CHEMBL4098627, SCHEMBL21436934, DA-49498, HY-142101, CS-0375819 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 538.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C20H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DGKSRSQXQWIQTH-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.436 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.366 |
| Compound Name | 3,4-Didehydroglabridin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 322.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 322.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 322.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.435832 |
| Inchi | InChI=1S/C20H18O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-10,21-22H,11H2,1-2H3 |
| Smiles | CC1(C=CC2=C(O1)C=CC3=C2OCC(=C3)C4=C(C=C(C=C4)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients